WRR-483

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 206492

CAS#: 1076088-50-0

Description: WRR-483, an analogue of K-11777, is a potent and selective cysteine protease inhibitor with trypanocidal activity in cell culture and animal model with comparable efficacy to K11777. WRR-483 demonstrates good potency against cruzain with sensitivity to pH conditions and high efficacy in the cell culture assay. Furthermore, WRR-483 also eradicates parasite infection in a mouse model of acute Chagas' disease. WRR-483 binds covalently to the active site cysteine of the protease in a similar manner as other vinyl sulfone-based inhibitors. WRR-483 has potential to be developed as a treatment for Chagas' disease.


Chemical Structure

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WRR-483
CAS# 1076088-50-0

Theoretical Analysis

MedKoo Cat#: 206492
Name: WRR-483
CAS#: 1076088-50-0
Chemical Formula: C29H41N7O4S
Exact Mass: 583.2941
Molecular Weight: 583.75
Elemental Analysis: C, 59.67; H, 7.08; N, 16.80; O, 10.96; S, 5.49

Size Price Shipping out time Quantity
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Pricing updated 2021-03-07. Prices are subject to change without notice.

WRR-483 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.

Synonym: WRR-483; WRR 483; WRR483.

IUPAC/Chemical Name: N-((S)-5-guanidino-1-oxo-1-(((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)amino)pentan-2-yl)-4-methylpiperazine-1-carboxamide

InChi Key: QLVPCZICLZOVOF-GQCXWPLSSA-N

InChi Code: InChI=1S/C29H41N7O4S/c1-35-18-20-36(21-19-35)29(38)34-26(13-8-17-32-28(30)31)27(37)33-24(15-14-23-9-4-2-5-10-23)16-22-41(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,33,37)(H,34,38)(H4,30,31,32)/b22-16+/t24-,26-/m0/s1

SMILES Code: O=C(N[C@H](C(N[C@H](/C=C/S(=O)(C1=CC=CC=C1)=O)CCC2=CC=CC=C2)=O)CCCNC(N)=N)N3CCN(CC3)C

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001

Handling Instructions:

Preparing Stock Solutions

The following data is based on the product molecular weight 583.75 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Cobo ER, Reed SL, Corbeil LB. Effect of vinyl sulfone inhibitors of cysteine proteinases on Tritrichomonas foetus infection. Int J Antimicrob Agents. 2012 Mar;39(3):259-62. doi: 10.1016/j.ijantimicag.2011.09.026. Epub 2011 Nov 21. PubMed PMID: 22104282; PubMed Central PMCID: PMC3279618.

2: Chen YT, Brinen LS, Kerr ID, Hansell E, Doyle PS, McKerrow JH, Roush WR. In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi. PLoS Negl Trop Dis. 2010 Sep 14;4(9). pii: e825. doi: 10.1371/journal.pntd.0000825. PubMed PMID: 20856868; PubMed Central PMCID: PMC2939063.



Additional Information

Related CAS#
1076088-50-0 (WRR-483 free base)
1076089-14-9 (WRR-483 2HCl salt)